New Data on the Structure of Fe(III) tris-Dipivaloylmethanate in the Range of 90–365 K

Abstract

Single crystals of Fe(dpm)₃ (dpm - dipivaloylmethanate) are analyzed by X-ray diffraction in the temperature range of 90-365 K. A new crystal modification is found in the range of 90-100 K (space group \(P\bar{1}\), Z = 8); a phase transition is confirmed to occur at 230 K (space group \(P\bar{1}\), Z = 4). In the range of 250-365 K, a relative increase in the monoclinic unit cell parameters (space group C2/c, Z = 8) is Δa/a = 0.67%, Δb/b = 1.16%, and Δc/c = 0.47%; β angle decreases by 3.3%. In the range of 90-365 K, a relative increase in the molecular volume is 6.65%, with average Fe–O distances and chelate angles ∠O–Fe–O being almost unchanged. Hirshfeld surfaces are constructed for the structures at 90 K, 130 K, 250 K, and 365 K. The Fe(dpm)₃ layers obtained by physical vapor deposition (PVD) and crystallization during spin coating on different inorganic substrates are studied, orientation is determined, and structural features are analyzed in [1 0 0] and [0 0 1] directions.